Information card for entry 7032721

Structure parameters

• Formula: C21 H16 O11 Os3 Ru S
• Calculated formula: C21 H15 O11 Os3 Ru S
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]2345(C#[O])(C#[O])S12[Os]3(C#[O])(C#[O])(C#[O])[Os]1(C#[O])(C#[O])(C#[O])[Os]23(C#[O])(C#[O])C#[O])C)C)C)C
• Title of publication: Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment.
• Authors of publication: Yuvaraj, K.; Roy, Dipak Kumar; Anju, V. P.; Mondal, Bijnaneswar; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17184 - 17190
• a: 8.6735 ± 0.0003 Å
• b: 28.0865 ± 0.0009 Å
• c: 11.7927 ± 0.0004 Å
• α: 90°
• β: 102.006 ± 0.002°
• γ: 90°
• Cell volume: 2809.96 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No